Geometry & MOs

Info

ID:	361620
PubChem CID:	127303886
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	8.92
IP(EA), eV:	-8.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-oxo-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3CSCN3C(=O)C(C)(C)C

DOS

IR

Vibrations